2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid

C14H16Cl2FNO2 — CID 60928882

IUPAC2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1cc(F)c(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C14H16Cl2FNO2/c1-14(13(19)20,18-5-3-2-4-6-18)9-7-12(17)11(16)8-10(9)15/h7-8H,2-6H2,1H3,(H,19,20)
InChIKeyVEXVZRVAJUZEBF-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.92
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid

2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid (PubChem CID 60928882) has the molecular formula C14H16Cl2FNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid
PubChem CID60928882
Molecular FormulaC14H16Cl2FNO2
Molecular Weight320.19 g/mol
Exact Mass319.05
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1cc(F)c(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C14H16Cl2FNO2/c1-14(13(19)20,18-5-3-2-4-6-18)9-7-12(17)11(16)8-10(9)15/h7-8H,2-6H2,1H3,(H,19,20)
InChIKeyVEXVZRVAJUZEBF-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
2-(2-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 24258980
(4-Chloro-3-fluorophenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 72838826
2-(3-Chloro-4-fluorophenyl)-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]acetic acid
CID 72912501
2-(2,4-Dichlorophenyl)-2-(morpholin-4-yl)acetic acid hydrochloride
CID 54595831
2-(2-chloro-6-fluorophenyl)-2-(N-methylacetamido)acetic acid
CID 55232396
2-(2-Chloro-6-fluorophenyl)-2-(piperidin-1-yl)acetic acid hydrochloride
CID 75480633
2-(4-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243941
2-(2-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243943
2-(4-Chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid
CID 19958023
2-(2-Chlorophenyl)-2-[[2-(2,6-dichlorophenyl)-3,3,3-trifluoropropanoyl]-methylamino]acetic acid
CID 140373175
2-[4-[[2-(2,4-Dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid
CID 167275749

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid (CID 60928882) is 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid is CC(C(=O)O)(c1cc(F)c(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid?
The InChIKey is VEXVZRVAJUZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FNO2/c1-14(13(19)20,18-5-3-2-4-6-18)9-7-12(17)11(16)8-10(9)15/h7-8H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid?
2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid has a molecular weight of 320.19 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-2-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 60928882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).